NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 S 4.4052 8.1927 115.2898 58.3115 62.7620 175.7567 11 E 3.9004 8.7027 115.4742 58.0017 29.4296 177.1885 12 A 3.9968 8.7652 122.0568 55.2991 18.9706 178.4316 13 C 3.9812 8.1755 115.0130 63.1818 28.2378 176.5558 14 R 4.0038 7.5124 117.4894 59.3297 28.8341 178.6693 15 D 4.3955 7.9190 119.2724 56.9825 40.8535 178.8044 16 G 3.6152 8.4337 106.5044 47.9718 0.0000 175.1094 17 L 3.9454 8.1059 121.0412 57.7987 41.7944 179.5748 18 R 4.0512 8.3147 116.5707 59.3269 30.3319 178.5665 19 A 4.1908 8.1900 120.5512 55.1031 18.3885 181.4313 20 V 3.7645 7.7594 116.7038 62.9935 31.7710 177.9693 *22 E 4.2336 8.1738 116.8380 56.2731 31.5211 177.8608 23 C 3.8971 8.3499 116.6761 63.0211 27.8814 176.1274 24 R 3.7805 8.1036 119.1188 59.6637 30.0516 177.7531 25 N 4.4571 8.1052 115.4205 56.5051 38.6335 177.4029 26 V 3.6213 8.5697 120.6703 66.2181 31.6443 178.1939 27 T 3.9145 8.1877 109.6724 64.8479 68.3980 176.1217 28 H 4.2060 7.8174 118.8294 58.8959 28.6813 177.3340 29 L 3.9405 7.8731 121.4577 57.8303 41.8277 178.4785 30 L 3.9136 7.9278 120.3667 58.3741 42.0928 178.7369 31 Q 3.9094 8.5969 119.6850 59.2329 28.9142 178.4025 32 Q 3.9766 8.3590 119.1694 59.0867 28.7496 178.6542 33 E 3.9718 8.3974 119.8048 59.4352 29.4208 179.2546 34 L 4.0053 8.6542 119.4404 58.2855 41.5909 179.7732 35 T 3.8551 7.9943 115.5105 66.4541 68.3164 176.0281 36 E 3.8524 8.1748 120.9280 59.4081 29.6694 178.4565 37 A 3.8423 8.2347 120.9819 55.4693 18.3709 179.4129 38 Q 4.0375 8.3171 117.9194 59.1366 29.1354 178.0969 39 K 3.9514 8.4648 121.2603 59.6698 32.0970 178.3312 40 G 3.6739 8.2870 106.0416 48.3772 0.0000 175.3662 41 F 4.4105 7.9372 120.5631 60.0318 38.8622 177.9599 42 Q 3.9990 8.3401 117.5353 59.2535 28.6493 178.3187 43 D 4.3615 8.5228 120.2216 57.6030 40.8675 179.1946 44 V 3.6282 8.2420 118.9929 65.9615 31.3677 177.7991 45 E 3.9410 8.2823 118.9343 58.9917 29.5294 178.1931 46 A 3.9908 8.1886 121.0807 55.7441 18.4238 179.6560 47 Q 3.9562 8.2722 115.7170 58.9406 28.7716 178.6851 48 A 3.9638 8.1872 121.5380 55.2719 18.3758 179.1386 49 A 3.9710 8.2146 118.6836 56.2851 18.4566 179.3764 50 T 3.7713 7.9758 113.5430 67.2430 68.4593 175.7704 51 C 3.8962 8.5667 119.8022 62.9142 31.4660 175.4373 52 N 4.1291 8.4638 117.9677 57.4819 38.6914 176.2140 53 H 4.2849 8.5279 116.2703 58.9272 28.9577 177.6302 54 T 4.0720 8.5406 118.0971 66.5365 68.0278 176.7586 55 V 3.5957 7.7576 116.1817 64.2024 32.0933 176.2368 *57 A 4.4233 7.8993 121.4473 52.0694 20.3242 180.3044 58 L 4.1118 7.9334 114.8290 55.1291 41.2507 179.3062 *60 A 4.2589 8.2138 122.8616 52.4948 20.5580 180.0244 61 S 4.0979 8.1176 111.8901 61.7792 62.7879 176.3143 62 L 4.1603 7.9938 122.7435 58.7247 41.7889 178.6647 63 D 4.4071 8.1744 117.6307 57.3481 40.7243 178.8977 64 A 3.9324 8.1882 121.2762 55.1031 18.5044 178.9537 65 E 3.8508 8.9006 118.9436 59.6337 29.5777 179.2180 66 K 3.9216 8.4524 118.3343 59.4785 32.1451 179.1231 67 A 3.9827 8.0810 120.9031 55.1013 18.2889 179.4523 68 Q 3.9537 8.6079 118.5307 59.6802 29.1728 177.9861 69 G 3.7992 8.5073 106.5159 48.3936 0.0000 174.6911 70 Q 3.9468 8.6842 121.9466 58.5767 29.1339 179.4651 71 K 3.9256 8.1467 120.1562 59.3732 32.2505 178.7078 72 K 3.9257 8.4841 120.3744 59.5129 32.1122 178.8432 73 V 3.5543 8.0003 118.6512 65.8222 31.3194 177.4815 74 E 3.8745 8.2586 118.9858 59.3823 29.3371 178.0928 75 E 3.8911 8.6121 119.5672 59.7502 29.5865 179.0025 76 L 4.0504 8.1862 118.5757 57.5390 41.6875 179.2757 77 E 4.1117 8.3689 119.0626 58.8914 29.3301 179.2072 78 G 3.7004 8.3434 106.2978 48.0942 0.0000 175.2477 79 E 3.9701 7.8322 121.5518 59.0186 29.4371 179.6798 80 I 3.6812 7.7206 119.7536 64.7511 37.2393 178.7264 81 T 3.7253 7.9362 110.3650 64.6772 68.4584 176.7797 82 T 3.8050 7.9614 118.8153 66.5062 68.5002 176.4632 83 L 3.9528 8.2046 121.0698 57.9981 41.7025 179.0838 84 N 4.2841 8.7720 116.8178 56.9566 38.5613 177.1965 85 H 4.3185 8.3247 117.2666 58.9339 28.8827 178.1133 86 K 4.0604 8.4097 120.5388 59.0086 31.7985 179.3051 87 L 3.9401 8.5765 121.1841 58.3309 42.0208 178.9301 88 Q 4.0556 8.0809 117.9719 59.0638 28.5317 178.7833 89 D 4.2977 8.0767 119.2677 57.2628 40.8465 178.4457 90 A 3.9704 7.9767 121.1485 55.5459 18.5308 179.6577 91 S 4.0297 8.6480 111.4131 61.3340 62.2942 176.3662 92 A 3.9807 8.1743 123.8782 54.9671 18.1473 179.0850 93 E 3.8710 8.3629 118.2033 59.3441 29.5811 178.9975 94 V 3.5477 8.1045 118.5314 66.2308 31.7099 177.4922 95 E 3.9156 8.0089 117.8288 59.6212 29.3793 179.5883 96 R 3.8630 8.3766 118.5996 59.5677 30.1843 178.5899 97 L 4.0123 8.2891 119.1411 57.7621 41.5904 179.6397 98 R 3.9347 8.7701 118.6579 59.5087 29.9944 179.0319 99 R 3.8602 7.9211 117.3885 59.0321 30.0435 178.2771 100 E 3.8822 8.2983 118.8318 59.6447 29.6899 178.5424 101 N 4.2152 8.4777 116.9886 56.9208 38.9604 175.9829 102 Q 3.8926 8.4574 121.0188 59.4414 28.9941 178.4824 103 V 3.5553 7.8919 118.8393 66.3704 31.4892 178.0406 104 L 4.0095 8.1136 118.5583 57.8651 41.6016 179.7614 105 S 4.1478 8.0482 114.0797 61.2388 62.6619 176.7688 106 V 3.5407 7.5966 121.0345 66.0224 31.4399 177.6724 107 R 4.0477 8.0818 116.7105 59.5330 29.9173 178.9131 108 I 3.8479 7.5710 118.3188 64.2709 37.3177 176.5076 109 A 4.2912 7.6562 124.0406 52.3833 18.3940 176.9560 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 10 S 8.19 4.41 0.00 3.87 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.70 3.90 0.00 2.20 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 12 A 8.77 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 8.18 3.98 0.00 3.21 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.51 4.00 0.00 2.05 2.19 0.00 2.77 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 15 D 7.92 4.40 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.43 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.11 3.95 0.00 1.85 1.78 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.31 4.05 0.00 1.72 2.01 0.00 3.18 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 19 A 8.19 4.19 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.76 3.76 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.93 0.00 0.00 *22 E 8.17 4.23 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 23 C 8.35 3.90 0.00 3.01 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.10 3.78 0.00 1.82 1.94 0.00 3.28 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 25 N 8.11 4.46 0.00 2.88 2.88 0.00 0.00 6.62 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.57 3.62 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.93 0.00 0.00 27 T 8.19 3.91 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 28 H 7.82 4.21 0.00 3.40 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.87 3.94 0.00 1.77 1.91 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.93 3.91 0.00 1.94 1.85 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.60 3.91 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 32 Q 8.36 3.98 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 33 E 8.40 3.97 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 34 L 8.65 4.01 0.00 1.83 1.76 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.99 3.86 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 36 E 8.17 3.85 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 37 A 8.23 3.84 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.32 4.04 0.00 2.19 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 39 K 8.46 3.95 0.00 1.84 2.06 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.54 7.81 40 G 8.29 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.94 4.41 0.00 3.28 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.34 4.00 0.00 2.40 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 43 D 8.52 4.36 0.00 2.75 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.24 3.63 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.93 0.00 0.00 45 E 8.28 3.94 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 46 A 8.19 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.27 3.96 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 48 A 8.19 3.96 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.21 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.98 3.77 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 51 C 8.57 3.90 0.00 3.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.46 4.13 0.00 3.01 3.01 0.00 0.00 7.40 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 H 8.53 4.28 0.00 3.30 3.38 0.00 5.91 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.54 4.07 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 55 V 7.76 3.60 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 *57 A 7.90 4.42 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.93 4.11 0.00 1.86 1.69 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 *60 A 8.21 4.26 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.12 4.10 0.00 4.02 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.99 4.16 0.00 1.96 1.67 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.17 4.41 0.00 2.92 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.19 3.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.90 3.85 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 66 K 8.45 3.92 0.00 1.94 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.57 7.81 67 A 8.08 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.61 3.95 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.62 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 69 G 8.51 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.68 3.95 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 71 K 8.15 3.93 0.00 1.93 1.96 0.00 1.69 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 72 K 8.48 3.93 0.00 1.85 1.92 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.49 7.81 73 V 8.00 3.55 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.93 0.00 0.00 74 E 8.26 3.87 0.00 2.31 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 75 E 8.61 3.89 0.00 2.28 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 76 L 8.19 4.05 0.00 1.72 1.69 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.37 4.11 0.00 2.27 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 78 G 8.34 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.83 3.97 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 80 I 7.72 3.68 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.02 0.89 0.00 0.00 81 T 7.94 3.73 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 82 T 7.96 3.80 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 83 L 8.20 3.95 0.00 1.93 1.70 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.77 4.28 0.00 2.85 2.88 0.00 0.00 7.11 8.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.32 4.32 0.00 3.35 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.41 4.06 0.00 1.91 1.87 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.62 7.81 87 L 8.58 3.94 0.00 1.80 1.86 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.08 4.06 0.00 2.44 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 89 D 8.08 4.30 0.00 2.89 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.98 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.65 4.03 0.00 3.89 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.17 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.36 3.87 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 94 V 8.10 3.55 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.93 0.00 0.00 95 E 8.01 3.92 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 96 R 8.38 3.86 0.00 1.92 2.10 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 97 L 8.29 4.01 0.00 2.00 1.70 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.77 3.93 0.00 2.03 1.98 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 99 R 7.92 3.86 0.00 2.08 1.96 0.00 3.16 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 100 E 8.30 3.88 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 101 N 8.48 4.22 0.00 3.07 2.87 0.00 0.00 6.91 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.46 3.89 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.46 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 103 V 7.89 3.56 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.93 0.00 0.00 104 L 8.11 4.01 0.00 1.87 1.70 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.05 4.15 0.00 4.08 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 7.60 3.54 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.93 0.00 0.00 107 R 8.08 4.05 0.00 2.04 2.01 0.00 3.22 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 108 I 7.57 3.85 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.64 0.91 0.00 0.00 109 A 7.66 4.29 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.